(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone

C14H20N2O — CID 30115915

IUPAC(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O/c1-10-4-3-5-11(2)16(10)14(17)12-6-8-13(15)9-7-12/h6-11H,3-5,15H2,1-2H3/t10-,11-/m0/s1
InChIKeyRJVODUZLXDHLBY-QWRGUYRKSA-N
MW232.33 g/mol
LogP2.67
Rot. Bonds1

About (4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone

(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 30115915) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID30115915
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)c1ccc(N)cc1
InChIInChI=1S/C14H20N2O/c1-10-4-3-5-11(2)16(10)14(17)12-6-8-13(15)9-7-12/h6-11H,3-5,15H2,1-2H3/t10-,11-/m0/s1
InChIKeyRJVODUZLXDHLBY-QWRGUYRKSA-N
XLogP2.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
(4-aminophenyl)-(2,4,6-trimethylpiperazin-1-yl)methanone
CID 123609497
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
[4-(chloromethyl)phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 6932219
[4-(3-aminoprop-1-ynyl)phenyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968290
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16784397
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
[4-(aminomethyl)phenyl]-(2,5-dimethylpyrrolidin-1-yl)methanone
CID 119345177
(2,6-dimethylpiperidin-1-yl)-(furan-3-yl)methanone
CID 128538257
[4-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl] propanoate
CID 7379850
(3-amino-4-ethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689913
(2,6-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 62237680

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone (CID 30115915) is (4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone is C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is RJVODUZLXDHLBY-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-4-3-5-11(2)16(10)14(17)12-6-8-13(15)9-7-12/h6-11H,3-5,15H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone?
(4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 232.33 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 30115915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).